correspondence matrix validation

correspondence_matrix.f90

@@ -0,0 +1,81 @@
+program corresponcence_matrix
+    implicit none
+    integer, dimension(4) :: &
+        active = [6,0,6,0], &
+        potential = [6,6,6,6]
+
+    real, dimension(3) :: &
+        direction, normal
+
+    real, dimension(3,12) :: normal_vector
+
+    real :: cOverA = 1.6235
+
+    real, dimension(8,24) :: &
+    system = reshape(real([&
+    ! <-10.1>{10.2} systems, shear = (3-(c/a)^2)/(sqrt(3) c/a)
+    ! tension in Co, Mg, Zr, Ti, and Be; compression in Cd and Zn
+      -1,  0,  1,  1,     1,  0, -1,  2, & !
+       0, -1,  1,  1,     0,  1, -1,  2, &
+       1, -1,  0,  1,    -1,  1,  0,  2, &
+       1,  0, -1,  1,    -1,  0,  1,  2, &
+       0,  1, -1,  1,     0, -1,  1,  2, &
+      -1,  1,  0,  1,     1, -1,  0,  2, &
+    ! <11.6>{-1-1.1} systems, shear = 1/(c/a)
+    ! tension in Co, Re, and Zr
+      -1, -1,  2,  6,     1,  1, -2,  1, &
+       1, -2,  1,  6,    -1,  2, -1,  1, &
+       2, -1, -1,  6,    -2,  1,  1,  1, &
+       1,  1, -2,  6,    -1, -1,  2,  1, &
+      -1,  2, -1,  6,     1, -2,  1,  1, &
+      -2,  1,  1,  6,     2, -1, -1,  1, &
+    ! <10.-2>{10.1} systems, shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
+    ! compression in Mg
+       1,  0, -1, -2,     1,  0, -1,  1, &
+       0,  1, -1, -2,     0,  1, -1,  1, &
+      -1,  1,  0, -2,    -1,  1,  0,  1, &
+      -1,  0,  1, -2,    -1,  0,  1,  1, &
+       0, -1,  1, -2,     0, -1,  1,  1, &
+       1, -1,  0, -2,     1, -1,  0,  1, &
+    ! <11.-3>{11.2} systems, shear = 2((c/a)^2-2)/(3 c/a)
+    ! compression in Ti and Zr
+       1,  1, -2, -3,     1,  1, -2,  2, &
+      -1,  2, -1, -3,    -1,  2, -1,  2, &
+      -2,  1,  1, -3,    -2,  1,  1,  2, &
+      -1, -1,  2, -3,    -1, -1,  2,  2, &
+       1, -2,  1, -3,     1, -2,  1,  2, &
+       2, -1, -1, -3,     2, -1, -1,  2  &
+      ]),shape(system))
+
+    integer :: &
+    a, &                                                                        !< index of active system
+    p, &                                                                        !< index in potential system matrix
+    f, &                                                                        !< index of my family
+    s                                                                           !< index of my system in current family
+    
+    a = 0
+    do f = 1, size(active,1)                                                    !< Loops 1 to 4 for hP
+        do s = 1, active(f)                                                     !< 1 to 6 two times
+            
+            a = a + 1
+            p = sum(potential(1:f-1))+s                                         !< 1 to 6 and 13 to 18
+            
+            direction = [ system(1,p)*1.5, &
+            (system(1,p)+2.0*system(2,p))*sqrt(0.75), &
+             system(4,p)*cOverA ]                                               ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(p/a)])
+
+            normal    = [ system(5,p), &
+            (system(5,p)+2.0*system(6,p))/sqrt(3.0), &
+            system(8,p)/cOverA ]                                              ! plane (hkil)->(h (h+2k)/sqrt(3) l/(p/a))
+            
+
+            
+            normal_vector(1:3,a) = normal   /norm2(normal)
+            write(6,*)'normal vector', normal_vector
+        end do
+    end do
+
+    do f = 1,size(active,1)
+    enddo
+
+end program corresponcence_matrix